SCHEMBL4601036

SCHEMBL4601036

COCCOc1ccc(CS(=O)(=O)NCCc2ccccc2)c(Oc2ncc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.68
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
XBP1 P17861 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4601543 0.93 PPARG (0.67) PPARGLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4600932 0.92 PPARG (0.78) PPARGLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL3195469 0.91 PPARG (0.78) PPARGLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4602698 0.90 PPARG (0.66) PPARGLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4600852 0.90 PPARG (0.65) PPARGLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL3213187 0.88 PPARG (0.82) PPARGLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4603139 0.86 PPARG (0.58) PPARGLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4602045 0.86 PPARG (0.71) PPARGLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4601167 0.86 PPARG (0.69) PPARGLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4603829 0.86 PPARG (0.75) PPARGLMNASMN1; SMN2ALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed